SCHEMBL10752136

SCHEMBL10752136

COc1cc(CCC(C)=O)cc(NC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.50
TP53 P04637 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B1 P14061 1/20 0.43
CNR1 P21554 1/20 0.42
MEN1 O00255 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3933546 0.90 KMT2A (0.52) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL14288602 0.86 KMT2A (0.53) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL10783415 0.85 LMNA (0.48) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL16054397 0.84 KDM4E (0.62) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL10753830 0.81 LMNA (0.47) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL171686 0.80 KMT2A (0.63) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL10748434 0.80 KMT2A (0.51) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL10781647 0.78 L3MBTL1 (0.43) LMNANPC1KDM4EMAPTKMT2A
SCHEMBL10754632 0.77 LMNA (0.51) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL10750366 0.76 NPC1 (0.54) SMN1; SMN2RAB9ALMNANPC1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
US-4647579-A Circulation active novel substituted 4-hydroxy-benzopyrans BAYER AKTIENGESELLSCHAFT (DE) 1987-03-03 US disclosed